4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine

C10H14Cl2N2 — CID 79020189

IUPAC4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine
SMILESCC(Cl)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C10H14Cl2N2/c1-6(11)9-13-7(10(2,3)4)5-8(12)14-9/h5-6H,1-4H3
InChIKeyFNWLJDVKCCSYSE-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.73
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine

4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine (PubChem CID 79020189) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine
PubChem CID79020189
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine
SMILESCC(Cl)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C10H14Cl2N2/c1-6(11)9-13-7(10(2,3)4)5-8(12)14-9/h5-6H,1-4H3
InChIKeyFNWLJDVKCCSYSE-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine (CID 79020189) is 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine is CC(Cl)c1nc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine?
The InChIKey is FNWLJDVKCCSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-6(11)9-13-7(10(2,3)4)5-8(12)14-9/h5-6H,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine?
4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine has a molecular weight of 233.14 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(1-chloroethyl)pyrimidine is sourced from PubChem (CID 79020189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).